In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2010 | 18 | Yes |
Popular Name: 2-(ethylamino)-1-[4-[[(2S)-tetrahydrofuran-2-yl]methyl]piperazin-1-yl]ethanone 2-(ethylamino)-1-[4-[[(2S)-tetra…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | -0.26 | 2.49 | -41.85 | 2 | 5 | 1 | 49 | 256.37 | 5 | ↓ |
Hi High (pH 8-9.5) | -0.26 | 1.12 | -8.63 | 1 | 5 | 0 | 45 | 255.362 | 5 | ↓ |
Mid Mid (pH 6-8) | -0.26 | 4.78 | -96.56 | 3 | 5 | 2 | 51 | 257.378 | 5 | ↓ |